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Calcitonin, eel

CAT: 0931-TP1028-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1028-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57014-02-5
Target
Thyroid hormone receptor (THR)
Related Pathways
Endocrinology/Hormones
Bioactivity
Calcitonin, eel is a peptide hormone that plays a crucial role in maintaining calcium balance within the body. It is extensively utilized in the scientific investigation of postmenopausal osteoporosis, a condition characterized by decreased bone density and an increased risk of fractures in women after menopause.
Smiles
C([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CN=CN2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(=O)[C@H]3NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC3)[H])C(C)C)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)CO)=O)CCC(N)=O)=O)CCC(O)=O)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)CCC(N)=O)=O)[C@@H](C)O)=O)(=O)N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(=O)N5[C@H](C(N)=O)CCC5)[C@@H](C)O)=O)=O)C)=O)=O)C(C)C)=O)CC(O)=O)=O)[C@@H](C)O)=O)CCCNC(=N)N)=O)CCC4
Molecular Formula
C146H241N43O47S2
Molecular Weight
3414.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Calcitonin eel

HC-58 has been used in trials studying the prevention of Severe Upper Limb Hemiplegia.

CAS Number57014-02-5
PubChem CID16132307
IUPAC Name(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC146H243N43O47S2
Molecular Weight3416.9
XLogP-17.1
Topological Polar Surface Area1460
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count54
Rotatable Bond Count112
Heavy Atom Count238
Formal Charge0
Complexity7910
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N)O
InChI
InChI=1S/C146H243N43O47S2/c1-66(2)47-88(175-140(231)112(72(13)14)184-137(228)100(64-238)181-143(234)115(76(18)195)187-136(227)99(62-192)180-130(221)92(51-70(9)10)172-132(223)94(54-105(152)200)174-135(226)97(60-190)178-119(210)81(149)63-237)120(211)159-58-107(202)163-82(27-20-22-42-147)121(212)169-91(50-69(7)8)129(220)179-98(61-191)134(225)167-85(36-39-103(150)198)123(214)165-87(38-41-109(204)205)124(215)171-90(49-68(5)6)128(219)173-93(53-79-56-156-65-161-79)131(222)164-83(28-21-23-43-148)122(213)170-89(48-67(3)4)127(218)166-86(37-40-104(151)199)126(217)186-114(75(17)194)142(233)177-96(52-78-32-34-80(197)35-33-78)144(235)189-46-26-31-102(189)138(229)168-84(29-24-44-157-146(154)155)125(216)185-113(74(16)193)141(232)176-95(55-110(206)207)133(224)183-111(71(11)12)139(230)160-57-106(201)162-73(15)118(209)158-59-108(203)182-116(77(19)196)145(236)188-45-25-30-101(188)117(153)208/h32-35,56,65-77,81-102,111-116,190-197,237-238H,20-31,36-55,57-64,147-149H2,1-19H3,(H2,150,198)(H2,151,199)(H2,152,200)(H2,153,208)(H,156,161)(H,158,209)(H,159,211)(H,160,230)(H,162,201)(H,163,202)(H,164,222)(H,165,214)(H,166,218)(H,167,225)(H,168,229)(H,169,212)(H,170,213)(H,171,215)(H,172,223)(H,173,219)(H,174,226)(H,175,231)(H,176,232)(H,177,233)(H,178,210)(H,179,220)(H,180,221)(H,181,234)(H,182,203)(H,183,224)(H,184,228)(H,185,216)(H,186,217)(H,187,227)(H,204,205)(H,206,207)(H4,154,155,157)/t73-,74+,75+,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-,113-,114-,115-,116-/m0/s1
InChIKey
VSHJAJRPRRNBEK-LMVCGNDWSA-N
Chemical Structure
2D Structure
2D structure of Calcitonin eel
CAS: 57014-02-5
CID: 16132307
Formula: C146H243N43O47S2
MW: 3416.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3416.9
XLogP3-17.1
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count54
Rotatable Bond Count112
Exact Mass3415.7421492
Monoisotopic Mass3414.7387944
Topological Polar Surface Area1460 Ų
Heavy Atom Count238
Formal Charge0
Complexity7910
Isotope Atom Count0
Defined Atom Stereocenter Count33
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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